N-(1-cyanocyclooctyl)cyclohexanecarboxamide

C16H26N2O — CID 54904581

IUPACN-(1-cyanocyclooctyl)cyclohexanecarboxamide
SMILESN#CC1(NC(=O)C2CCCCC2)CCCCCCC1
InChIInChI=1S/C16H26N2O/c17-13-16(11-7-2-1-3-8-12-16)18-15(19)14-9-5-4-6-10-14/h14H,1-12H2,(H,18,19)
InChIKeyQVBXGZTZNQKGGX-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.69
Rot. Bonds2

About N-(1-cyanocyclooctyl)cyclohexanecarboxamide

N-(1-cyanocyclooctyl)cyclohexanecarboxamide (PubChem CID 54904581) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(1-cyanocyclooctyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclooctyl)cyclohexanecarboxamide
PubChem CID54904581
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(1-cyanocyclooctyl)cyclohexanecarboxamide
SMILESN#CC1(NC(=O)C2CCCCC2)CCCCCCC1
InChIInChI=1S/C16H26N2O/c17-13-16(11-7-2-1-3-8-12-16)18-15(19)14-9-5-4-6-10-14/h14H,1-12H2,(H,18,19)
InChIKeyQVBXGZTZNQKGGX-UHFFFAOYSA-N
XLogP3.69
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-cyanocyclooctyl)cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-cyano-4-ethylcyclohexyl)cyclooctanecarboxamide
CID 65018223
N-(1-cyanocyclooctyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79673741
N-(1-cyanocyclohexyl)oxane-2-carboxamide
CID 62213888
N-(1-cyanocyclopentyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79673742
1-(1-cyanocyclooctyl)-3-cyclohexylurea
CID 61124742
N-(1-cyanocyclohexyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104918975
1-(1-cyanocyclooctyl)-3-cyclopropylurea
CID 62698920
2,2-dichloro-N-(1-cyanocyclopentyl)cyclopropane-1-carboxamide
CID 78831224
1-(1-cyanocyclohexyl)-3-cyclopropylurea
CID 55209173
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] cyclopentanecarboxylate
CID 7717691
2-bromo-N-(1-cyanocycloheptyl)acetamide
CID 63680243
(1S)-N-(1-cyanocyclopropyl)-3-(difluoromethyl)cyclohexane-1-carboxamide
CID 144828438

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclooctyl)cyclohexanecarboxamide?
The IUPAC name of N-(1-cyanocyclooctyl)cyclohexanecarboxamide (CID 54904581) is N-(1-cyanocyclooctyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(1-cyanocyclooctyl)cyclohexanecarboxamide?
The canonical SMILES for N-(1-cyanocyclooctyl)cyclohexanecarboxamide is N#CC1(NC(=O)C2CCCCC2)CCCCCCC1.
What is the InChIKey of N-(1-cyanocyclooctyl)cyclohexanecarboxamide?
The InChIKey is QVBXGZTZNQKGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c17-13-16(11-7-2-1-3-8-12-16)18-15(19)14-9-5-4-6-10-14/h14H,1-12H2,(H,18,19).
What are the key properties of N-(1-cyanocyclooctyl)cyclohexanecarboxamide?
N-(1-cyanocyclooctyl)cyclohexanecarboxamide has a molecular weight of 262.40 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclooctyl)cyclohexanecarboxamide is sourced from PubChem (CID 54904581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).